1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea

C13H18N4O3 — CID 128625225

IUPAC1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea
SMILESCOc1cnc(NC(=O)NC2CCOC2C2CC2)nc1
InChIInChI=1S/C13H18N4O3/c1-19-9-6-14-12(15-7-9)17-13(18)16-10-4-5-20-11(10)8-2-3-8/h6-8,10-11H,2-5H2,1H3,(H2,14,15,16,17,18)
InChIKeyZTFPPHGZXPXLLG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds4

About 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea

1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea (PubChem CID 128625225) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea
PubChem CID128625225
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea
SMILESCOc1cnc(NC(=O)NC2CCOC2C2CC2)nc1
InChIInChI=1S/C13H18N4O3/c1-19-9-6-14-12(15-7-9)17-13(18)16-10-4-5-20-11(10)8-2-3-8/h6-8,10-11H,2-5H2,1H3,(H2,14,15,16,17,18)
InChIKeyZTFPPHGZXPXLLG-UHFFFAOYSA-N
XLogP1.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea?
The IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea (CID 128625225) is 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea is COc1cnc(NC(=O)NC2CCOC2C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea?
The InChIKey is ZTFPPHGZXPXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-19-9-6-14-12(15-7-9)17-13(18)16-10-4-5-20-11(10)8-2-3-8/h6-8,10-11H,2-5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea?
1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea has a molecular weight of 278.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea is sourced from PubChem (CID 128625225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).